Friday, July 6, 2012

http://ChemLookup.com Compounds




CAS RN: 20455-07-6
CAS Name: methanesulfonic acid (4-nitrophenyl) ester
OPENEYE Name: (4-nitrophenyl) methanesulfonate
IUPAC Name: (4-nitrophenyl) methanesulfonate
SYSTEMATIC NAME: (4-nitrophenyl) methanesulfonate
MOLECULAR FORMULA: C7H7NO5S
MOLECULAR WEIGHT: 217.19918
SMILES: CS(=O)(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
Structure:

CAS RN: 39936-95-3
CAS Name: tris[(4-chlorophenyl)thio]arsine
OPENEYE Name: tris[(4-chlorophenyl)sulfanyl]arsane
IUPAC Name: tris[(4-chlorophenyl)sulfanyl]arsane
SYSTEMATIC NAME: tris[(4-chlorophenyl)sulfanyl]arsane
MOLECULAR FORMULA: C18H12AsCl3S3
MOLECULAR WEIGHT: 505.76348
SMILES: C1=CC(=CC=C1S[As](SC2=CC=C(C=C2)Cl)SC3=CC=C(C=C3)Cl)Cl
Structure:

CAS RN: 20442-31-3
CAS Name: di(propan-2-yloxy)-(propan-2-ylthio)-sulfanylidenephosphorane
OPENEYE Name: diisopropoxy-isopropylsulfanyl-thioxo-$l^{5}-phosphane
IUPAC Name: di(propan-2-yloxy)-propan-2-ylsulfanyl-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: di(propan-2-yloxy)-propan-2-ylsulfanyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C9H21O2PS2
MOLECULAR WEIGHT: 256.365601
SMILES: CC(C)OP(=S)(OC(C)C)SC(C)C
Structure:

CAS RN: 820-17-7
CAS Name: octadecanoic acid (3-acetyloxy-2-hydroxypropyl) ester
OPENEYE Name: (3-acetoxy-2-hydroxy-propyl) octadecanoate
IUPAC Name: (3-acetyloxy-2-hydroxypropyl) octadecanoate
SYSTEMATIC NAME: (3-acetyloxy-2-oxidanyl-propyl) octadecanoate
MOLECULAR FORMULA: C23H44O5
MOLECULAR WEIGHT: 400.59246
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C)O
Structure:

CAS RN: 7073-44-1
CAS Name: benzene-1,4-dicarbothioic acid S1,S4-bis(4-tert-butylphenyl) ester
OPENEYE Name: S1,S4-bis(4-tert-butylphenyl) benzene-1,4-dicarbothioate
IUPAC Name: 1-S,4-S-bis(4-tert-butylphenyl) benzene-1,4-dicarbothioate
SYSTEMATIC NAME: S1,S4-bis(4-tert-butylphenyl) benzene-1,4-dicarbothioate
MOLECULAR FORMULA: C28H30O2S2
MOLECULAR WEIGHT: 462.6666
SMILES: CC(C)(C)C1=CC=C(C=C1)SC(=O)C2=CC=C(C=C2)C(=O)SC3=CC=C(C=C3)C(C)(C)C
Structure:

CAS RN: 91241-65-5
CAS Name: N-[[4-(hydroxymethyl)cyclohexyl]methyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[[4-(hydroxymethyl)cyclohexyl]methyl]carbamate
IUPAC Name: ethyl N-[[4-(hydroxymethyl)cyclohexyl]methyl]carbamate
SYSTEMATIC NAME: ethyl N-[[4-(hydroxymethyl)cyclohexyl]methyl]carbamate
MOLECULAR FORMULA: C11H21NO3
MOLECULAR WEIGHT: 215.28934
SMILES: CCOC(=O)NCC1CCC(CC1)CO
Structure:

CAS RN: 23458-50-6
CAS Name: 2-(1H-benzimidazol-2-yl)-2,4-dimethyl-3-pentanone
OPENEYE Name: 2-(1H-benzimidazol-2-yl)-2,4-dimethyl-pentan-3-one
IUPAC Name: 2-(1H-benzimidazol-2-yl)-2,4-dimethylpentan-3-one
SYSTEMATIC NAME: 2-(1H-benzimidazol-2-yl)-2,4-dimethyl-pentan-3-one
MOLECULAR FORMULA: C14H18N2O
MOLECULAR WEIGHT: 230.30552
SMILES: CC(C)C(=O)C(C)(C)C1=NC2=CC=CC=C2N1
Structure:

CAS RN: 13141-08-7
CAS Name: 3-methoxy-2-methylpropanal
OPENEYE Name: 3-methoxy-2-methyl-propanal
IUPAC Name: 3-methoxy-2-methylpropanal
SYSTEMATIC NAME: 3-methoxy-2-methyl-propanal
MOLECULAR FORMULA: C5H10O2
MOLECULAR WEIGHT: 102.1317
SMILES: CC(COC)C=O
Structure:

CAS RN: 63661-69-8
CAS Name: 4-(2,4,4-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl)phenol
OPENEYE Name: 4-(2,4,4-trimethylchroman-2-yl)phenol
IUPAC Name: 4-(2,4,4-trimethyl-3H-chromen-2-yl)phenol
SYSTEMATIC NAME: 4-(2,4,4-trimethyl-3H-chromen-2-yl)phenol
MOLECULAR FORMULA: C18H20O2
MOLECULAR WEIGHT: 268.3502
SMILES: CC1(CC(OC2=CC=CC=C21)(C)C3=CC=C(C=C3)O)C
Structure:

CAS RN: 3315-25-1
CAS Name: 2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)-phenylmethyl]-5-methylphenol
OPENEYE Name: 2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methyl-phenyl)-phenyl-methyl]-5-methyl-phenol
IUPAC Name: 2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)-phenylmethyl]-5-methylphenol
SYSTEMATIC NAME: 2-tert-butyl-4-[(5-tert-butyl-2-methyl-4-oxidanyl-phenyl)-phenyl-methyl]-5-methyl-phenol
MOLECULAR FORMULA: C29H36O2
MOLECULAR WEIGHT: 416.59494
SMILES: CC1=CC(=C(C=C1C(C2=CC=CC=C2)C3=CC(=C(C=C3C)O)C(C)(C)C)C(C)(C)C)O
Structure:

CAS RN: 4058-55-3
CAS Name: 2-ethyl-2-propa-1,2-dienylhexanal
OPENEYE Name: 2-ethyl-2-propa-1,2-dienyl-hexanal
IUPAC Name: 2-ethyl-2-propa-1,2-dienylhexanal
SYSTEMATIC NAME: 2-ethyl-2-propa-1,2-dienyl-hexanal
MOLECULAR FORMULA: C11H18O
MOLECULAR WEIGHT: 166.26002
SMILES: CCCCC(CC)(C=C=C)C=O
Structure:

CAS RN: 23969-11-1
CAS Name: 2-[2-(phenylmethylene)hydrazinyl]-4-thiazolone
OPENEYE Name: 2-(2-benzylidenehydrazino)thiazol-4-one
IUPAC Name: 2-(2-benzylidenehydrazinyl)-1,3-thiazol-4-one
SYSTEMATIC NAME: 2-[2-(phenylmethylidene)hydrazinyl]-1,3-thiazol-4-one
MOLECULAR FORMULA: C10H9N3OS
MOLECULAR WEIGHT: 219.26296
SMILES: C1C(=O)N=C(S1)NN=CC2=CC=CC=C2
Structure:

CAS RN: 93598-65-3
CAS Name: 3-cyclohexyl-2-cyclohexylimino-6-methyl-1,3-oxazin-4-one
OPENEYE Name: 3-cyclohexyl-2-cyclohexylimino-6-methyl-1,3-oxazin-4-one
IUPAC Name: 3-cyclohexyl-2-cyclohexylimino-6-methyl-1,3-oxazin-4-one
SYSTEMATIC NAME: 3-cyclohexyl-2-cyclohexylimino-6-methyl-1,3-oxazin-4-one
MOLECULAR FORMULA: C17H26N2O2
MOLECULAR WEIGHT: 290.40054
SMILES: CC1=CC(=O)N(C(=NC2CCCCC2)O1)C3CCCCC3
Structure:

CAS RN: 56929-46-5
CAS Name: 1,4-dihydro-1,2,4,5-tetrazine-3,6-diamine
OPENEYE Name: 1,4-dihydro-1,2,4,5-tetrazine-3,6-diamine
IUPAC Name: 1,4-dihydro-1,2,4,5-tetrazine-3,6-diamine
SYSTEMATIC NAME: 1,4-dihydro-1,2,4,5-tetrazine-3,6-diamine
MOLECULAR FORMULA: C2H6N6
MOLECULAR WEIGHT: 114.10924
SMILES: C1(=NNC(=NN1)N)N
Structure:

CAS RN: 3698-12-2
CAS Name: 5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-[[4-(dimethylamino)phenyl]methylene]-3-phenyl-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C18H16N2OS2
MOLECULAR WEIGHT: 340.46244
SMILES: CN(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC=CC=C3
Structure:

CAS RN: 17521-25-4
CAS Name: 5-[(4-chlorophenyl)methylidene]-3-[(4-chlorophenyl)methylideneamino]-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-[(4-chlorophenyl)methylene]-3-[(4-chlorophenyl)methyleneamino]-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-[(4-chlorophenyl)methylidene]-3-[(4-chlorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-[(4-chlorophenyl)methylidene]-3-[(4-chlorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C17H10Cl2N2OS2
MOLECULAR WEIGHT: 393.3101
SMILES: C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)N=CC3=CC=C(C=C3)Cl)Cl
Structure:

CAS RN: 21665-71-4
CAS Name: 4-(2-benzo[e]benzotriazolyl)aniline
OPENEYE Name: 4-benzo[e]benzotriazol-2-ylaniline
IUPAC Name: 4-benzo[e]benzotriazol-2-ylaniline
SYSTEMATIC NAME: 4-benzo[e]benzotriazol-2-ylaniline
MOLECULAR FORMULA: C16H12N4
MOLECULAR WEIGHT: 260.29328
SMILES: C1=CC=C2C(=C1)C=CC3=NN(N=C32)C4=CC=C(C=C4)N
Structure:

CAS RN: 13504-72-8
CAS Name: 2-cyano-2-triphenylphosphoranylideneacetic acid ethyl ester
OPENEYE Name: ethyl 2-cyano-2-(triphenyl-$l^{5}-phosphanylidene)acetate
IUPAC Name: ethyl 2-cyano-2-(triphenyl-$l^{5}-phosphanylidene)acetate
SYSTEMATIC NAME: ethyl 2-cyano-2-(triphenyl-$l^{5}-phosphanylidene)ethanoate
MOLECULAR FORMULA: C23H20NO2P
MOLECULAR WEIGHT: 373.384161
SMILES: CCOC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C#N
Structure:

CAS RN: 94258-53-4
CAS Name: 5-[(4-methoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylideneamino]-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-[(4-methoxyphenyl)methylene]-3-[(4-methoxyphenyl)methyleneamino]-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-[(4-methoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-[(4-methoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C19H16N2O3S2
MOLECULAR WEIGHT: 384.47194
SMILES: COC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)N=CC3=CC=C(C=C3)OC
Structure:

CAS RN: 72371-47-2
CAS Name: 2-(2,4-dimethoxyphenyl)-2-oxoacetonitrile
OPENEYE Name: 2,4-dimethoxybenzoyl cyanide
IUPAC Name: 2,4-dimethoxybenzoyl cyanide
SYSTEMATIC NAME: 2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethanenitrile
MOLECULAR FORMULA: C10H9NO3
MOLECULAR WEIGHT: 191.18336
SMILES: COC1=CC(=C(C=C1)C(=O)C#N)OC
Structure:

CAS RN: 2015-95-4
CAS Name: 2-[(2,3,6-trichlorophenyl)methylideneamino]ethanol
OPENEYE Name: 2-[(2,3,6-trichlorophenyl)methyleneamino]ethanol
IUPAC Name: 2-[(2,3,6-trichlorophenyl)methylideneamino]ethanol
SYSTEMATIC NAME: 2-[[2,3,6-tris(chloranyl)phenyl]methylideneamino]ethanol
MOLECULAR FORMULA: C9H8Cl3NO
MOLECULAR WEIGHT: 252.52492
SMILES: C1=CC(=C(C(=C1Cl)C=NCCO)Cl)Cl
Structure:

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